4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile

C16H24N4O — CID 75504066

IUPAC4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile
SMILESCn1cc(CN2CCOCC2C#N)c(C2CCCCC2)n1
InChIInChI=1S/C16H24N4O/c1-19-10-14(11-20-7-8-21-12-15(20)9-17)16(18-19)13-5-3-2-4-6-13/h10,13,15H,2-8,11-12H2,1H3
InChIKeyVSZLMULDVDWBQO-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.19
Rot. Bonds3

About 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile

4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile (PubChem CID 75504066) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile
PubChem CID75504066
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile
SMILESCn1cc(CN2CCOCC2C#N)c(C2CCCCC2)n1
InChIInChI=1S/C16H24N4O/c1-19-10-14(11-20-7-8-21-12-15(20)9-17)16(18-19)13-5-3-2-4-6-13/h10,13,15H,2-8,11-12H2,1H3
InChIKeyVSZLMULDVDWBQO-UHFFFAOYSA-N
XLogP2.19
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile?
The IUPAC name of 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile (CID 75504066) is 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile is Cn1cc(CN2CCOCC2C#N)c(C2CCCCC2)n1.
What is the InChIKey of 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile?
The InChIKey is VSZLMULDVDWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-10-14(11-20-7-8-21-12-15(20)9-17)16(18-19)13-5-3-2-4-6-13/h10,13,15H,2-8,11-12H2,1H3.
What are the key properties of 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile?
4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile has a molecular weight of 288.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile is sourced from PubChem (CID 75504066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).